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Pyrvinium chloride

CAT: 0931-T69112-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69112-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
548-84-5
Target
Others
Related Pathways
Others
Bioactivity
Pyrvinium chloride is used in the treatment of pinworm infections
Smiles
CC=1N(C(C)=CC1C=CC2=[N+](C)C3=C(C=C2)C=C(N(C)C)C=C3)C4=CC=CC=C4.[Cl-]
Molecular Formula
C26H28ClN3
Molecular Weight
417.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methyl-, chloride (1:1)
CAS Number548-84-5
PubChem CID6433474
IUPAC Name2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine chloride
Molecular FormulaC26H28ClN3
Molecular Weight418.0
Topological Polar Surface Area12.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity552
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.[Cl-]
InChI
InChI=1S/C26H28N3.ClH/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;/h6-18H,1-5H3;1H/q+1;/p-1
InChIKey
IKUGNXPCGVYRHO-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methyl-, chloride (1:1)
CAS: 548-84-5
CID: 6433474
Formula: C26H28ClN3
MW: 418.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass417.1971756
Monoisotopic Mass417.1971756
Topological Polar Surface Area12.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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